SCHEMBL4360055

SCHEMBL4360055

CS(=O)(=O)c1cccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SLC9A1 P19634 1/20 0.40
GAA P10253 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADAMTS7 Q9UKP4 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MGLL Q99685 3/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CNR2 P34972 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4537918 0.93 PTPN2 (0.43) ALDH1A1SLC9A1PTPN2PTPN1CYP2C19
SCHEMBL4356473 0.93 PTPN2 (0.43) ALDH1A1SLC9A1PTPN2PTPN1CYP2C19
SCHEMBL4349922 0.93 PTPN2 (0.43) ALDH1A1SLC9A1PTPN2PTPN1CYP2C19
SCHEMBL4353588 0.85 PIK3CA (0.43) SLC9A1LMNAPIK3CA
SCHEMBL4355595 0.84 POLB (0.54) ALDH1A1PTPN2PTPN1CYP2C19LMNA
SCHEMBL4520212 0.84 PTPN2 (0.47) ALDH1A1PTPN2PTPN1CYP2C19LMNA
SCHEMBL4362452 0.84 EPHX2 (0.37) PTPN2PTPN1LMNASMN1; SMN2HTT
SCHEMBL13586033 0.84 LMNA (0.45) SLC9A1GAACYP2C19ADAMTS7ADAMTS5
SCHEMBL4347963 0.83 NPC1 (0.46) ALDH1A1LMNATSHRMGLLHTT
SCHEMBL4356468 0.82 PTPN2 (0.40) ALDH1A1PTPN2PTPN1CYP2C19ADAMTS7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed